%chk=000229121.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229121

0 1
O -3.915071 0.875708 0.410101
O -3.830001 -0.909174 -1.106378
C -3.156108 -0.267028 -0.011243
C -1.865062 0.292423 -0.602128
C -5.280368 0.579263 0.812895
C -5.196597 -1.307537 -0.871150
C -6.005645 -0.109662 -0.351549
C -0.623167 -0.244141 0.113123
C 0.660593 0.332896 -0.499139
C 1.909894 -0.201069 0.214309
C 3.193571 0.375657 -0.397968
C 4.443719 -0.157491 0.314859
C -5.858623 1.943334 1.158779
C -5.250880 -2.525383 0.047315
C 5.727410 0.419047 -0.297591
C 6.977450 -0.113859 0.415157
C 8.262332 0.462128 -0.196631
C 9.509955 -0.064861 0.509034
H -3.055419 -0.977903 0.828966
H -1.833789 0.049051 -1.686833
H -1.902491 1.402865 -0.552084
H -5.230199 -0.084024 1.704982
H -5.508851 -1.580462 -1.907709
H -7.021303 -0.418446 -0.052437
H -6.131944 0.617289 -1.180281
H -0.670099 0.007477 1.191042
H -0.601893 -1.350239 0.054434
H 0.707411 0.085259 -1.577462
H 0.639154 1.438743 -0.444906
H 1.931211 -1.306629 0.159796
H 1.863104 0.047158 1.292222
H 3.172442 1.481277 -0.344067
H 3.240629 0.127806 -1.475980
H 4.465033 -1.263032 0.260961
H 4.397006 0.090675 1.392733
H -5.308162 2.399975 1.991862
H -6.914864 1.880126 1.435307
H -5.764919 2.637467 0.311837
H -6.226694 -3.019661 -0.003137
H -4.490623 -3.260294 -0.249954
H -5.064848 -2.274969 1.096276
H 5.706089 1.524613 -0.243874
H 5.774192 0.170871 -1.375478
H 6.932129 0.133664 1.493070
H 7.000164 -1.219254 0.362196
H 8.241704 1.568205 -0.142484
H 8.309891 0.213309 -1.274868
H 9.512959 0.197746 1.572996
H 9.581105 -1.156344 0.441274
H 10.421276 0.351528 0.065701


%chk=000229121-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229121

0 1
O -3.503179 0.549691 0.428718
O -4.264102 -0.636573 -1.540913
C -3.255313 -0.571167 -0.482391
C -1.903396 -0.355553 -1.152202
C -4.819961 0.403563 1.103403
C -5.653834 -0.773095 -1.018673
C -5.927220 0.338392 0.026987
C -0.720002 -0.390751 -0.160991
C 0.637369 -0.145585 -0.856534
C 1.837788 -0.180258 0.115767
C 3.194117 0.069519 -0.581509
C 4.398832 0.037934 0.385924
C -4.959567 1.597365 2.047345
C -5.937913 -2.203232 -0.514077
C 5.753098 0.286867 -0.315984
C 6.960273 0.259127 0.648598
C 8.313276 0.507143 -0.057045
C 9.514217 0.481260 0.913247
H -3.283185 -1.516120 0.112973
H -1.783138 -1.136538 -1.926980
H -1.940706 0.619959 -1.672520
H -4.803273 -0.543767 1.690812
H -6.269361 -0.588543 -1.917003
H -6.912418 0.170552 0.504545
H -5.957463 1.315259 -0.490754
H -0.884974 0.372240 0.623425
H -0.693603 -1.374588 0.353964
H 0.787816 -0.906315 -1.651483
H 0.611207 0.838241 -1.370107
H 1.865816 -1.164047 0.629915
H 1.687533 0.580631 0.909940
H 3.164471 1.052656 -1.096620
H 3.342724 -0.691749 -1.376065
H 4.429040 -0.944637 0.902205
H 4.251713 0.800441 1.179422
H -4.129214 1.611975 2.774084
H -5.914372 1.546163 2.601805
H -4.933467 2.541109 1.474560
H -7.022915 -2.333951 -0.344129
H -5.616835 -2.937389 -1.273112
H -5.419810 -2.435224 0.433288
H 5.721359 1.268465 -0.834054
H 5.900222 -0.476742 -1.108573
H 6.815785 1.023865 1.440545
H 6.993833 -0.721823 1.167824
H 8.277551 1.486209 -0.577426
H 8.457004 -0.258502 -0.846787
H 9.408097 1.257436 1.694746
H 9.590470 -0.497862 1.423179
H 10.468413 0.662044 0.384607


